N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide

C23H25N5O3 — CID 55792843

IUPACN-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)NCc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C23H25N5O3/c29-22(20-6-3-13-31-20)24-10-11-25-23(30)27-15-17-7-8-21(26-14-17)28-12-9-18-4-1-2-5-19(18)16-28/h1-8,13-14H,9-12,15-16H2,(H,24,29)(H2,25,27,30)
InChIKeyUZFKCMQUTNNVCM-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide

N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 55792843) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
PubChem CID55792843
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)NCc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C23H25N5O3/c29-22(20-6-3-13-31-20)24-10-11-25-23(30)27-15-17-7-8-21(26-14-17)28-12-9-18-4-1-2-5-19(18)16-28/h1-8,13-14H,9-12,15-16H2,(H,24,29)(H2,25,27,30)
InChIKeyUZFKCMQUTNNVCM-UHFFFAOYSA-N
XLogP2.47
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 55747213
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55801454
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(pyrimidin-2-ylamino)urea
CID 87005106
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 55766918
3-amino-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 47059036
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 55799147
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262
2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55912415
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzamide
CID 55801413

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide (CID 55792843) is N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccco1)NCc1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is UZFKCMQUTNNVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-22(20-6-3-13-31-20)24-10-11-25-23(30)27-15-17-7-8-21(26-14-17)28-12-9-18-4-1-2-5-19(18)16-28/h1-8,13-14H,9-12,15-16H2,(H,24,29)(H2,25,27,30).
What are the key properties of N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55792843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).